SCHEMBL2122737

SCHEMBL2122737

COc1cc(-c2nn3cc(-c4cnc(N)c(C(F)(F)F)c4)nc3s2)ccc1OC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.58
PIK3CD O00329 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
F2RL3 Q96RI0 2/20 0.42
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
MAP3K12 Q12852 2/20 0.40
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
ETV6 P41212 1/20 0.37
CCDC6 Q16204 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL532459 0.92 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGF2RL3
SCHEMBL2121456 0.88 PIK3CA (0.71) PIK3CARETKIF5BKDRETV6
SCHEMBL2122734 0.86 PIK3CA (0.76) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL532711 0.86 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGF2RL3
SCHEMBL2122634 0.85 PIK3CA (0.59) PIK3CAF2RL3RETKIF5BKDR
SCHEMBL532220 0.81 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CGF2RL3
SCHEMBL532339 0.79 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CGF2RL3
SCHEMBL3517162 0.78 PIK3CA (0.57) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2120594 0.77 PIK3CA (0.56) PIK3CAF2RL3
SCHEMBL532458 0.77 PIK3CA (0.71) PIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP claimed
EP-2414369-B1 IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-08-12 EP disclosed
US-8815918-B2 Imidazo [2, 1-B] [1, 3, 4] thiadiazole derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-08-26 US disclosed
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2012-04-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120094996-A1 Imidazo [2, 1-B] [1, 3, 4] Thiadiazole Derivatives PIK3CA, PI4KA, PIK3CD PIK3CA 1/4885PIK3CD 3/4885PIK3CB 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.